SCHEMBL3461960

SCHEMBL3461960

Clc1ccc2[nH]c3c(OCCN4CCCCC4)c4[nH]c5ccc(Cl)cc5c4cc3c2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ACHE P22303 2/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
LTA4H P09960 2/20 0.45
PTGS2 P35354 1/20 0.45
TSHR P16473 1/20 0.42
PARP1 P09874 2/20 0.41
HRH3 Q9Y5N1 6/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3462580 0.99 HTT (0.51) HTTATMTDP1ACHEMEN1
SCHEMBL12821505 0.91 HTT (0.46) HTTATMTDP1ACHEMEN1
SCHEMBL3460215 0.87 CYP1A2 (0.43) HTTATMTDP1ACHEMEN1
SCHEMBL3461678 0.85 FLT3 (0.49) POLBLTA4HPARP1HRH3
SCHEMBL3462243 0.85 KMT2A (0.47) ATMMEN1ALDH1A1POLBKMT2A
SCHEMBL3460234 0.84 LTA4H (0.49) HTTPOLBLTA4HHRH3
SCHEMBL3462893 0.84 POLB (0.48) ACHEALDH1A1POLBKMT2ALTA4H
SCHEMBL3460186 0.83 KDM4E (0.42) HTTATMTDP1MEN1ALDH1A1
SCHEMBL3461066 0.83 LTA4H (0.41) HTTATMTDP1MEN1ALDH1A1
SCHEMBL3461061 0.83 LTA4H (0.41) HTTATMTDP1MEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694057-B1 LIPOXYGENASE INHIBITORS STANFORD RES INST INT (US) 2019-06-05 EP claimed
US-10646471-B2 Lipoxygenase inhibitors SRI INTERNATIONAL (US) 2020-05-12 US disclosed
EP-2694057-B1 LIPOXYGENASE INHIBITORS STANFORD RES INST INT (US) 2019-06-05 EP disclosed
US-20170095450-A1 Lipoxygenase Inhibitors SRI INTERNATIONAL 2017-04-06 US disclosed
EP-2326327-B1 ANALOGS OF INDOLE-3-CARBINOL AND THEIR USE AS AGENTS AGAINST INFECTION STANFORD RES INST INT (US) 2016-03-23 EP disclosed
EP-2326327-B1 ANALOGS OF INDOLE-3-CARBINOL AND THEIR USE AS AGENTS AGAINST INFECTION STANFORD RES INST INT (US) 2016-03-23 EP disclosed
US-20130345214-A1 Lipoxygenase Inhibitors SRI INTERNATIONAL, INC. (US) 2013-12-26 US disclosed
US-8399502-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2013-03-19 US disclosed
US-8399502-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2013-03-19 US disclosed
US-8399502-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2013-03-19 US disclosed
US-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection SRI INTERNATIONAL 2012-11-08 US disclosed
US-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection SRI INTERNATIONAL 2012-11-08 US disclosed
US-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection SRI INTERNATIONAL 2012-11-08 US disclosed
US-8278341-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2012-10-02 US disclosed
US-8278341-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2012-10-02 US disclosed
US-8278341-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2012-10-02 US disclosed
WO-2010033198-A2 ANALOGS OF INDOLE-3-CARBINOL AND THEIR USE AS AGENTS AGAINST INFECTION SRI INTERNATIONAL (US) 2010-03-25 WO disclosed
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection UNITED STATES GOVERNMENT; DEFENSE THREAT REDUCTION AGENCY 2010-03-18 US disclosed
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection UNITED STATES GOVERNMENT; DEFENSE THREAT REDUCTION AGENCY 2010-03-18 US disclosed
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection UNITED STATES GOVERNMENT; DEFENSE THREAT REDUCTION AGENCY 2010-03-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170095450-A1 Lipoxygenase Inhibitors ALOX15B, ALOX12, ALOX15 HTT 303/4885ATM 3132/4885TDP1 998/4885
US-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection IDO1, IDO2, TDO2 HTT 3126/4885ATM 3675/4885TDP1 3169/4885
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection IDO1, IDO2, TDO2 HTT 3126/4885ATM 3675/4885TDP1 3169/4885
US-20130345214-A1 Lipoxygenase Inhibitors ALOX15B, ALOX12, ALOX15 HTT 303/4885ATM 3132/4885TDP1 998/4885
US-10646471-B2 Lipoxygenase inhibitors ALOX15B, ALOX12, ALOX15 HTT 303/4885ATM 3132/4885TDP1 998/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.